1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile

C9H12N4O2S2 — CID 103415236

IUPAC1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
SMILESCc1ncc(S(=O)(=O)N2CCNCC2C#N)s1
InChIInChI=1S/C9H12N4O2S2/c1-7-12-6-9(16-7)17(14,15)13-3-2-11-5-8(13)4-10/h6,8,11H,2-3,5H2,1H3
InChIKeyXISKRKMKVWZYRX-UHFFFAOYSA-N
MW272.36 g/mol
LogP-0.06
Rot. Bonds2

About 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile

1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile (PubChem CID 103415236) has the molecular formula C9H12N4O2S2 and a molecular weight of 272.36 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile.

Molecular Properties

Compound Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
PubChem CID103415236
Molecular FormulaC9H12N4O2S2
Molecular Weight272.36 g/mol
Exact Mass272.04
IUPAC Name1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile
SMILESCc1ncc(S(=O)(=O)N2CCNCC2C#N)s1
InChIInChI=1S/C9H12N4O2S2/c1-7-12-6-9(16-7)17(14,15)13-3-2-11-5-8(13)4-10/h6,8,11H,2-3,5H2,1H3
InChIKeyXISKRKMKVWZYRX-UHFFFAOYSA-N
XLogP-0.06
TPSA86.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.36
LogP ≤ 5-0.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(5-cyanothiophen-2-yl)sulfonylpiperazine-2-carbonitrile
CID 106272927
5-[2-(2-chlorophenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120765306
5-[2-(2-methoxyphenyl)piperazin-1-yl]sulfonyl-2-methyl-1,3-thiazole;hydrochloride
CID 120763453
1-(2-chloro-4-methylphenyl)sulfonylpiperazine-2-carbonitrile
CID 79091756
1-(5-fluoro-2-methylphenyl)sulfonylpiperazine-2-carbonitrile
CID 79092149
(2S)-1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperidine-2-carboxylic acid
CID 104937088
5-(2-isocyanatopyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103414770
5-(2-cyanopiperazin-1-yl)sulfonyl-2-methylbenzamide
CID 79095352
1-cyclopropylsulfonylpiperazine-2-carbonitrile
CID 79091370
1-(2,3-dichlorophenyl)sulfonylpiperazine-2-carbonitrile
CID 79091610
5-(3-chloropyrrolidin-1-yl)sulfonyl-2-methyl-1,3-thiazole
CID 103415890
methyl 4-(2-cyanopiperazin-1-yl)sulfonylbenzoate
CID 79095226

Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile?
The IUPAC name of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile (CID 103415236) is 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile.
What is the SMILES notation for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile?
The canonical SMILES for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile is Cc1ncc(S(=O)(=O)N2CCNCC2C#N)s1.
What is the InChIKey of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile?
The InChIKey is XISKRKMKVWZYRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12N4O2S2/c1-7-12-6-9(16-7)17(14,15)13-3-2-11-5-8(13)4-10/h6,8,11H,2-3,5H2,1H3.
What are the key properties of 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile?
1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile has a molecular weight of 272.36 g/mol, XLogP of -0.06, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-thiazol-5-yl)sulfonyl]piperazine-2-carbonitrile is sourced from PubChem (CID 103415236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).